Structure of PDB 5ybl Chain A Binding Site BS01

Receptor Information
>5ybl Chain A (length=272) Species: 227321 (Aspergillus nidulans FGSC A4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LQKFPATAPADEIYAAFKEDGCVIIEGFVPPDQMARFSQEIQPAMEKIQV
QVTNSNDRVKRFSKLVTTSPTFRHEILENDLMHELLQRVFSKPGEGMGYH
FNDTMVIEVQPGAPAQRLHRDQELYPWWNSMGPDAPECLVNFFCAVTPFT
VENGATRLVPGSNRWPELTLIDCPQYDSVPAIMQPGDCYMMSGKVIHGAG
HNATLSDQRRALAFSTIRRELRPVQAFPLWIPMQIATELSPRTQAMFGFR
SSVHFWGNDGKDIGEHLGLISS
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain5ybl Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ybl Structure function and engineering of multifunctional non-heme iron dependent oxygenases in fungal meroterpenoid biosynthesis.
Resolution2.108 Å
Binding residue
(original residue number in PDB)		H130 D132 H214
Binding residue
(residue number reindexed from 1)		H119 D121 H197
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.11.-
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Biological Process
GO:0016114 terpenoid biosynthetic process
GO:1900560 austinol biosynthetic process
GO:1900563 dehydroaustinol biosynthetic process
Cellular Component
GO:0005575 cellular_component

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5ybl, PDBe:5ybl, PDBj:5ybl
PDBsum5ybl
PubMed29317628
UniProtQ5AR34|AUSE_EMENI Multifunctional dioxygenase ausE (Gene Name=ausE)

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